Ciftci, Idris2025-07-302025-07-3020251386-20731875-540210.2174/01138620733670662502181034382-s2.0-105010091068https://doi.org/10.2174/0113862073367066250218103438https://hdl.handle.net/20.500.14720/28064Introduction: Quantitative Structure-Property Relationship (QSPR) models play a crucial role in predicting the chemical and physical characteristics of molecules. Methods: This study introduces Zagreb rho indices derived from graph theory to assess the physico-chemical properties of benzenes. The rho degree of vertices in connected graphs was formulated and used to compute these indices. Results: Strong correlations (R> 0.94) were observed between Zagreb rho indices and various molecular properties such as boiling point, molecular weight, and electron energy. Discussion: The findings demonstrate that Zagreb rho indices can serve as reliable predictors within QSPR frameworks, offering structural sensitivity and outperforming traditional topological indices in several aspects.eninfo:eu-repo/semantics/closedAccessQSPR StudiesBenzenesTopological IndicesRho DegreeZagreb Rho IndicesArticleQ3Q340040268WOS:001524527400001